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Dmitry A Shulga

Showing results (11-20 of 16) with videos related to

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Molecular Informatics|August 5, 2016
Perspectives of Halogen Bonding Description in Scoring Functions and QSAR/QSPR: Substituent Effects in Aromatic CoreOleg I Titov, Dmitry A Shulga, Vladimir A Palyulin, et al.
Natural Product Communications|May 2, 2012
Simulation of intramolecular hydrogen bond dynamics in manzamine A as a sensitive test for charge distribution qualityDmitry A Shulga, Dmitry I Osolodkin, Vladimir A Palyulin, et al.
Molecular Diversity|June 25, 2026
Towards selecting the virtual series of molecules using the central fragment via R-FBDD at the early stages of drug discoveryVasily D Myazin, Dmitry A Shulga, Nikita N Ivanov, et al.
Journal of Biomolecular Structure & Dynamics|May 9, 2022
Investigation of the tight binding mechanism of a new anticoagulant DD217 to factor Xa by means of molecular docking and molecular dynamicsDmitry A Shulga, Natalia A Tserkovnikova, Dmitry N Tarasov, et al.
Journal of Molecular Modeling|September 13, 2019
Computational characterization of the glutamate receptor antagonist perampanel and its close analogs: density functional exploration of conformational space and molecular docking studyAbdul-Akim D Guseynov, Sergey A Pisarev, Dmitry A Shulga, et al.
Molecular Informatics|July 29, 2016
General Purpose Electronegativity Relaxation Charge Models Applied to CoMFA and CoMSIA Study of GSK-3 InhibitorsDaria A Tsareva, Dmitry I Osolodkin, Dmitry A Shulga, et al.
Pageof 2

Showing results (11-20 of 16) with videos related to

Sort By:
Pageof 2
You have reached the last page of results.This site can display upto 16 results.
Molecular Informatics|August 5, 2016
Perspectives of Halogen Bonding Description in Scoring Functions and QSAR/QSPR: Substituent Effects in Aromatic CoreOleg I Titov, Dmitry A Shulga, Vladimir A Palyulin, et al.
Natural Product Communications|May 2, 2012
Simulation of intramolecular hydrogen bond dynamics in manzamine A as a sensitive test for charge distribution qualityDmitry A Shulga, Dmitry I Osolodkin, Vladimir A Palyulin, et al.
Molecular Diversity|June 25, 2026
Towards selecting the virtual series of molecules using the central fragment via R-FBDD at the early stages of drug discoveryVasily D Myazin, Dmitry A Shulga, Nikita N Ivanov, et al.
Journal of Biomolecular Structure & Dynamics|May 9, 2022
Investigation of the tight binding mechanism of a new anticoagulant DD217 to factor Xa by means of molecular docking and molecular dynamicsDmitry A Shulga, Natalia A Tserkovnikova, Dmitry N Tarasov, et al.
Journal of Molecular Modeling|September 13, 2019
Computational characterization of the glutamate receptor antagonist perampanel and its close analogs: density functional exploration of conformational space and molecular docking studyAbdul-Akim D Guseynov, Sergey A Pisarev, Dmitry A Shulga, et al.
Molecular Informatics|July 29, 2016
General Purpose Electronegativity Relaxation Charge Models Applied to CoMFA and CoMSIA Study of GSK-3 InhibitorsDaria A Tsareva, Dmitry I Osolodkin, Dmitry A Shulga, et al.
Pageof 2